dimethyl 7-(4-chlorophenyl)carbonyl-3-thiophen-2-yl-pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate

Systemtic Name: dimethyl 7-(4-chlorophenyl)carbonyl-3-thiophen-2-yl-pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate Openeye Name: dimethyl 7-(4-chlorobenzoyl)-3-(2-thienyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate CAS Name: 7-[(4-chlorophenyl)-oxomethyl]-3-thiophen-2-ylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 7-(4-chlorobenzoyl)-3-thiophen-2-ylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate Traditional Name: 7-(4-chlorobenzoyl)-3-(2-thienyl)pyrrolo[1,2-c]pyrimidine-5,6-dicarboxylic acid dimethyl ester Formula: C22H15ClN2O5S MolecularWeight: 454.8829

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=C(N=CN2C(=C1C(=O)OC)C(=O)C3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=C2C=C(N=CN2C(=C1C(=O)OC)C(=O)C3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C22H15ClN2O5S/c1-29-21(27)17-15-10-14(16-4-3-9-31-16)24-11-25(15)19(18(17)22(28)30-2)20(26)12-5-7-13(23)8-6-12/h3-11H,1-2H3